Barnidipine hydrochloride
C27H29N3O6.ClH
104757-53-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.0022 7.7001 0.0 0
M  V30 2 O 9.3358 8.4702 0.0 0
M  V30 3 O 8.0022 6.1601 0.0 0
M  V30 4 C 2.6673 7.7001 0.0 0
M  V30 5 O 1.3337 8.4702 0.0 0
M  V30 6 O 2.6673 6.1601 0.0 0
M  V30 7 C 0.0000 7.7001 0.0 0
M  V30 8 C 8.0022 10.7802 0.0 0
M  V30 9 C 2.6673 10.7802 0.0 0
M  V30 10 N 2.6673 3.0800 0.0 0 VAL=5
M  V30 11 O 1.3337 3.8501 0.0 0
M  V30 12 O 2.6673 1.5400 0.0 0
M  V30 13 C 14.6386 7.3430 0.0 0
M  V30 14 C 5.3348 7.7001 0.0 0 CFG=1
M  V30 15 C 6.6685 8.4702 0.0 0
M  V30 16 C 4.0010 8.4702 0.0 0
M  V30 17 C 6.6685 10.0102 0.0 0
M  V30 18 C 4.0010 10.0102 0.0 0
M  V30 19 N 5.3348 10.7802 0.0 0
M  V30 20 C 5.3348 6.1601 0.0 0
M  V30 21 C 4.0010 5.3901 0.0 0
M  V30 22 C 6.6685 5.3901 0.0 0
M  V30 23 C 4.0010 3.8501 0.0 0
M  V30 24 C 6.6685 3.8501 0.0 0
M  V30 25 C 5.3348 3.0800 0.0 0
M  V30 26 C 10.6697 7.7001 0.0 0 CFG=1
M  V30 27 C 12.0765 8.3265 0.0 0
M  V30 28 C 10.8306 6.1686 0.0 0
M  V30 29 N 13.1069 7.1821 0.0 0
M  V30 30 C 12.3369 5.8484 0.0 0
M  V30 31 C 15.5437 6.0971 0.0 0
M  V30 32 C 14.9174 4.6903 0.0 0
M  V30 33 C 17.0754 6.2580 0.0 0
M  V30 34 C 15.8226 3.4443 0.0 0
M  V30 35 C 17.9805 5.0122 0.0 0
M  V30 36 C 17.3542 3.6053 0.0 0
M  V30 37 Cl 8.9903 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 15
M  V30 4 1 26 2 CFG=3
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 4 16
M  V30 8 1 5 7
M  V30 9 1 8 17
M  V30 10 1 9 18
M  V30 11 2 10 11
M  V30 12 2 10 12
M  V30 13 1 10 23
M  V30 14 1 13 29
M  V30 15 1 13 31
M  V30 16 1 14 15
M  V30 17 1 14 16
M  V30 18 1 14 20 CFG=1
M  V30 19 2 15 17
M  V30 20 2 16 18
M  V30 21 1 17 19
M  V30 22 1 18 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 25
M  V30 29 1 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 1 28 30
M  V30 33 1 29 30
M  V30 34 2 31 32
M  V30 35 1 31 33
M  V30 36 1 32 34
M  V30 37 2 33 35
M  V30 38 2 34 36
M  V30 39 1 35 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 14 26)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
104757-53-1

> <cas.index.name>
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl] ester, hydrochloride (1:1), (4S)-

> <molecular.formula>
C27H29N3O6.ClH

> <molecular.weight>
528.00

> <melting.point.experimental>
226-228 °C

$$$$
